NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 S 4.2834 8.4345 117.0992 58.1542 64.4617 174.1530 *2 H 4.4247 8.4069 117.8155 54.4049 29.7625 172.2359 *3 T 4.2236 8.3358 114.2162 61.3157 71.2076 173.7577 *4 D 4.5136 8.3592 123.0880 53.6872 41.8155 176.0239 *5 I 4.0436 8.0192 119.8166 60.2325 37.4536 176.2101 *6 K 4.1936 8.3092 124.6196 55.0609 33.5184 176.6721 *7 V 3.9936 8.0492 118.9238 60.7337 33.5261 174.2159 *8 P 4.2936 0.0000 0.0000 62.5665 32.5854 176.6930 *9 D 4.5136 8.3592 119.9646 53.6585 41.7026 175.9724 *10 F 4.4936 8.3192 120.2747 57.2029 39.9841 175.6435 *11 S 4.3436 8.3292 119.8357 58.6134 64.0693 173.9930 *12 D 4.5136 8.3592 122.0013 53.8517 41.5332 175.5690 *13 Y 4.4236 8.1392 120.4197 57.2666 38.8525 175.7765 *14 R 4.2136 8.2492 121.0122 56.6883 31.4899 176.1765 *15 R 4.2136 8.2492 119.1224 56.1620 31.3804 174.2159 *16 P 4.2936 0.0000 0.0000 62.5053 32.7409 176.8087 *17 E 4.2236 8.4392 117.1635 56.3944 31.6147 176.6721 *18 V 3.9936 8.0492 118.8637 61.1725 33.6700 175.9508 *19 L 4.2136 8.1792 122.7094 54.7799 42.7340 176.9930 *20 D 4.5136 8.3592 120.3334 53.7444 41.7289 176.1435 *21 S 4.3436 8.3292 118.3663 58.8280 64.2725 174.3964 *22 T 4.2236 8.1692 115.3649 61.1508 70.1876 174.5101 *23 K 4.1936 8.3092 125.6738 55.1064 33.7132 176.4435 *24 S 4.3436 8.3292 118.1147 58.6301 64.1905 174.4435 *25 S 4.3436 8.3292 119.5459 58.4485 64.0132 174.4101 *26 K 4.1936 8.3092 124.5871 55.0285 33.4310 176.1087 *27 E 4.2236 8.4392 117.7690 56.4398 31.6226 176.4435 *28 S 4.3436 8.3292 118.0546 58.6301 64.3344 174.4435 *29 S 4.3436 8.3292 119.5459 58.5522 64.0132 174.1087 *30 E 4.2008 8.3376 116.5155 55.6478 31.4453 175.4736 *31 A 4.1825 8.2592 124.5374 52.6772 20.2174 177.6765 *32 R 4.1483 8.2492 118.6113 56.5619 31.4568 176.2122 *33 K 4.2213 8.2559 119.8840 54.3189 33.6860 175.8616 *34 G 3.7995 8.3492 110.7519 46.0286 0.0000 174.5724 *35 F 4.4019 8.3192 120.8086 57.2029 40.0007 175.6099 *36 S 4.3436 8.3292 119.8357 58.7373 64.0693 173.8690 *37 Y 4.4236 8.1392 121.5993 57.1792 38.5932 175.5508 *38 L 4.2136 8.1792 122.7058 54.7511 42.9991 177.6721 *39 V 3.9936 8.0492 118.6872 61.5131 33.5446 176.0964 *40 T 4.2008 8.0676 112.1764 60.5403 70.2871 173.5736 *41 A 4.1825 8.2592 127.1155 52.9303 20.1785 177.5964 *42 T 4.1583 8.1692 112.4566 61.5303 70.5191 174.5985 *43 T 4.2236 8.1692 116.4517 61.5303 70.4698 174.4964 *44 T 4.2236 8.1692 116.4517 61.2869 70.4698 174.7720 *45 V 4.0213 7.9959 119.1359 60.5276 33.6311 175.5616 *46 G 3.7995 8.3492 111.6793 46.0690 0.0000 174.9720 *47 V 3.8791 7.9476 117.0246 60.5230 33.6247 175.1400 *48 A 4.1825 8.2592 125.5250 52.8396 19.9957 177.0690 *49 Y 4.3354 8.0376 116.0063 56.5297 38.9247 174.8757 *50 A 4.1597 8.1576 122.8367 51.9403 20.2608 176.6736 *51 A 4.1172 8.2592 123.1204 52.5508 20.2277 177.7122 *52 K 4.1283 8.3092 121.6788 55.0616 33.7625 176.1115 *53 N 4.6136 8.4192 118.8051 52.7813 39.5050 175.2720 *54 V 3.9936 8.0492 118.2612 61.2696 33.6988 176.3721 *55 V 3.9936 8.0492 119.8512 61.3151 33.4484 176.1435 *56 S 4.3436 8.3292 119.0421 58.6150 64.1127 174.2786 *57 Q 4.2136 8.3392 121.5655 55.4503 29.8375 175.6724 *58 F 4.4936 8.3192 119.0874 57.1574 40.0210 175.8721 *59 V 3.9936 8.0492 120.6449 61.3151 33.4049 176.1435 *60 S 4.3436 8.3292 119.0421 58.6301 64.1127 174.4435 *61 S 4.3436 8.3292 119.5459 58.7809 64.0132 174.1705 *62 M 4.3536 8.2992 121.2400 55.0504 33.0950 176.1435 *63 S 4.3208 8.2276 115.2970 57.8380 64.4455 173.4736 *64 A 4.1825 8.2592 126.0288 52.7324 19.8962 177.6435 *65 S 4.2554 8.2276 113.9529 57.8380 64.3447 173.5757 *66 A 4.1825 8.2592 126.0288 52.7157 19.8962 177.1930 *67 D 4.4483 8.3592 119.0930 53.6989 41.8647 176.4742 *68 V 3.9936 8.0492 119.1754 61.1725 33.6081 175.9508 *69 L 4.1908 8.0776 120.0247 54.0045 42.7340 176.4736 *70 A 4.1825 8.2592 124.3609 52.8833 20.0919 177.3705 *71 M 4.2883 8.2992 118.3316 55.0504 33.4265 176.2456 *72 S 4.3436 8.3292 117.9817 58.4485 64.4455 174.4101 *73 K 4.1936 8.3092 124.5871 55.0492 33.4310 176.3239 *74 I 4.0436 8.0192 119.5651 60.3363 37.3716 175.9087 *75 E 4.2236 8.4392 119.2327 56.3827 31.5327 176.3239 *76 I 4.0436 8.0192 119.5050 60.2325 37.5155 176.2101 *77 K 4.1936 8.3092 124.6196 54.9638 33.5184 176.2508 *78 L 4.2136 8.1792 121.7820 54.7966 42.8118 177.4435 *79 S 4.3436 8.3292 117.8780 58.6134 64.2089 173.9930 *80 D 4.5136 8.3592 122.0013 53.6872 41.5332 176.0239 *81 I 4.0436 8.0192 119.8166 59.8327 37.4536 174.3159 *82 P 4.2936 0.0000 0.0000 62.5053 32.5733 176.8087 *83 E 4.2513 8.3859 114.8576 55.6523 31.6147 175.8616 *84 G 3.7995 8.3492 110.6917 45.9329 0.0000 174.7101 *85 K 4.1019 8.3092 123.9413 55.0616 33.7069 175.9758 *86 N 4.6136 8.4192 118.8051 52.9777 39.5050 174.7705 *87 M 4.3308 8.1976 116.4614 54.2583 33.4449 175.1736 *88 A 4.1825 8.2592 124.4645 52.6465 20.3285 177.4724 *89 F 4.4283 8.3192 118.5460 57.0213 40.0563 175.7122 *90 K 4.1936 8.3092 124.8769 54.7938 33.4871 176.2994 *91 W 4.5336 8.2692 122.3451 56.7009 30.1857 175.9765 *92 R 4.2413 8.1959 117.3147 55.9559 30.8220 175.5616 *93 G 3.7995 8.3492 109.7858 45.9329 0.0000 174.7101 *94 K 4.1019 8.3092 123.9413 54.5250 33.7069 174.4824 *95 P 4.2936 0.0000 0.0000 62.4406 32.6631 176.9508 *96 L 4.2136 8.1792 121.1765 54.7107 42.8039 177.2724 *97 F 4.4936 8.3192 119.7865 57.1574 39.9206 175.8721 *98 V 3.9936 8.0492 120.6449 61.2599 33.4049 176.1765 *99 R 4.2136 8.2492 121.0158 56.9566 31.2248 175.6800 *100 H 4.6036 8.4392 117.4235 55.0089 29.9501 173.9765 *101 R 4.2136 8.2492 120.6254 56.9414 31.2144 176.0964 *102 T 4.2236 8.1692 112.9677 61.1508 70.4426 174.5101 *103 K 4.1936 8.3092 125.6738 54.9248 33.7132 176.4101 *104 K 4.1936 8.3092 123.1559 55.0285 33.6082 176.1087 *105 E 4.2236 8.4392 117.7690 56.3827 31.6226 176.3239 *106 I 4.0436 8.0192 119.5050 60.3974 37.5155 175.7930 *107 D 4.5136 8.3592 122.0338 53.7294 41.6206 175.9786 *108 Q 4.2136 8.3392 120.3858 55.4583 30.0968 175.5087 *109 E 4.2008 8.3376 114.1485 55.6478 31.7416 175.4736 *110 A 4.1597 8.1576 121.8528 51.9403 20.2174 176.6736 *111 A 4.1172 8.2592 123.1204 52.6869 20.2277 177.9742 *112 V 3.9283 8.0492 117.4467 61.2372 33.6804 175.9108 *113 E 4.2236 8.4392 118.6964 56.3944 31.5448 176.6721 *114 V 3.9936 8.0492 118.8637 61.3151 33.6700 176.1435 *115 S 4.3436 8.3292 119.0421 58.6150 64.1127 174.2786 *116 Q 4.2136 8.3392 121.5655 55.3936 29.8375 175.6508 *117 L 4.2136 8.1792 120.8462 54.7415 42.9307 177.4765 *118 R 4.2136 8.2492 119.8517 56.7268 31.3211 175.6930 *119 D 4.5136 8.3592 119.6040 53.1630 41.7883 174.2159 *120 P 4.2936 0.0000 0.0000 62.5681 32.7452 176.9786 *121 Q 4.2136 8.3392 119.5288 55.7493 30.0069 175.3800 *122 H 4.6036 8.4392 117.4537 55.0473 29.9912 173.4930 *123 D 4.5136 8.3592 121.1071 53.6018 41.6223 175.9508 *124 L 4.2136 8.1792 122.0336 54.7188 42.8938 177.1087 *125 E 4.2236 8.4392 117.5323 56.3847 31.6411 176.4765 *126 R 4.2136 8.2492 120.0283 56.6979 31.4465 176.3721 *127 V 3.9936 8.0492 117.9578 61.1335 33.6039 176.1101 *128 K 4.1936 8.3092 124.0833 54.9248 33.5305 176.4101 *129 K 4.1936 8.3092 123.1559 54.5250 33.6082 174.5159 *130 P 4.2936 0.0000 0.0000 62.5053 32.6631 176.8087 *131 E 4.2236 8.4392 117.1635 56.1273 31.6147 176.2994 *132 W 4.5336 8.2692 122.2850 56.7105 30.3296 176.1721 *133 V 3.9936 8.0492 118.4559 61.2579 33.0455 176.0239 *134 I 4.0436 8.0192 120.4925 60.2715 37.2938 176.0508 *135 L 4.2136 8.1792 123.2457 54.7394 42.7219 177.3239 *136 I 4.0713 7.9659 117.0226 59.6266 37.3901 175.6616 *137 G 3.7995 8.3492 112.2156 46.0690 0.0000 174.9720 *138 V 3.9019 8.0492 119.7093 61.4027 33.6247 176.4327 *139 C 4.5836 8.4492 119.3665 55.7127 41.8046 174.3964 *140 T 4.2236 8.1692 114.7073 61.5455 70.0306 174.0800 *141 H 4.6036 8.4392 120.9074 54.9214 29.9773 173.7508 *142 L 4.2413 8.1259 120.0132 54.0091 42.7236 176.8616 *143 G 3.7995 8.3492 110.5152 46.2021 0.0000 175.0662 *144 C 4.4919 8.4492 119.2245 55.4693 41.9810 174.6385 *145 V 3.9936 8.0492 119.6974 60.7337 33.1918 174.2159 *146 P 4.2936 0.0000 0.0000 62.5260 32.5854 177.0239 *147 I 4.0208 7.9176 116.2749 59.6220 37.3637 175.2736 *148 A 4.1825 8.2592 126.0613 52.6876 19.9836 177.2094 *149 N 4.5254 8.3176 114.6433 52.0347 39.6593 174.1757 *150 A 4.2102 8.2059 121.6291 51.9449 20.2462 177.0616 *151 G 3.7341 8.3492 109.2747 46.0978 0.0000 174.3951 *152 D 4.4219 8.3592 121.3555 53.6585 41.8091 175.9388 *153 F 4.5213 8.2659 117.9689 56.4154 39.9841 175.0616 *154 G 3.8272 8.2959 110.1670 45.3270 0.0000 174.1616 *155 G 3.7078 8.3492 111.5373 46.2217 0.0000 174.1354 *156 Y 4.3319 8.1392 120.9535 57.4290 38.8691 175.1354 *157 Y 4.4236 8.1392 121.0919 57.4094 38.9577 176.0662 *158 C 4.5836 8.4492 119.3629 54.9333 42.0696 172.5159 *159 P 4.2936 0.0000 0.0000 62.6707 32.3289 177.4663 *160 C 4.5836 8.4492 117.8336 55.7279 41.8745 173.9800 *161 H 4.6313 8.3859 116.8573 54.2765 29.5380 173.3616 *162 G 3.7995 8.3492 111.2889 46.1145 0.0000 174.7435 *163 S 4.2519 8.3292 118.9001 58.8432 64.2891 173.9464 *164 H 4.6036 8.4392 119.8207 55.1713 29.6950 173.3690 *165 Y 4.4236 8.1392 120.7052 57.3051 38.6823 175.2930 *166 D 4.4908 8.2576 118.8092 52.9523 41.8978 175.1736 *167 A 4.1825 8.2592 124.8491 52.7324 20.1555 177.6435 *168 S 4.3060 8.2759 114.3317 57.8426 64.3447 173.9637 *169 G 3.7995 8.3492 112.1831 46.0593 0.0000 174.7765 *170 R 4.1219 8.2492 120.8738 56.6862 31.4012 175.9904 *171 I 4.0436 8.0192 118.5990 60.3590 37.4494 176.2765 *172 R 4.2136 8.2492 121.5521 56.5619 31.2127 176.1101 *173 K 4.2213 8.2559 119.8840 54.3189 33.6860 175.8616 *174 G 3.7995 8.3492 110.7519 45.5330 0.0000 172.8159 *175 P 4.1791 0.0000 0.0000 61.7911 32.7618 176.1400 *176 A 4.1825 8.2592 123.9921 52.1509 20.0656 175.7159 *177 P 4.2283 0.0000 0.0000 62.4406 32.8174 177.0529 *178 L 4.2136 8.1792 121.1765 54.7518 42.8039 177.0094 *179 N 4.6136 8.4192 118.5685 52.6842 39.5235 174.8508 *180 L 4.2136 8.1792 121.1194 54.7188 42.9845 177.1087 *181 E 4.2236 8.4392 117.5323 56.3944 31.6411 176.6721 *182 V 3.9936 8.0492 118.8637 60.7337 33.6700 174.2159 *183 P 4.2936 0.0000 0.0000 62.5832 32.5854 177.1435 *184 S 4.3436 8.3292 117.5092 58.7373 64.1826 173.8690 *185 Y 4.4236 8.1392 121.5993 57.2439 38.5932 175.4087 *186 E 4.2236 8.4392 118.6928 56.3540 31.8099 176.2724 *187 F 4.4936 8.3192 119.9631 57.4008 40.0460 175.5964 *188 T 4.2236 8.1692 115.6547 61.3324 70.2437 174.5435 *189 S 4.3436 8.3292 120.6326 58.6134 64.2955 173.9930 *190 D 4.5136 8.3592 122.0013 53.7277 41.5332 175.6930 *191 D 4.5136 8.3592 120.8217 53.8953 41.7925 175.8705 *192 M 4.3536 8.2992 120.0603 55.0049 33.3543 176.3721 *193 V 3.9936 8.0492 118.7908 61.2579 33.7811 176.0239 *194 I 4.0436 8.0192 120.4925 60.3686 37.2938 176.4720 *195 V 4.0213 7.9959 118.0817 60.5276 33.4362 175.5616 *196 G 3.7995 8.3492 111.6793 45.9003 0.0000 173.7052 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ *1 S 8.43 4.28 0.00 3.59 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 H 8.41 4.42 0.00 2.75 2.91 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *3 T 8.34 4.22 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 *4 D 8.36 4.51 0.00 2.44 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *5 I 8.02 4.04 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.97 0.91 0.00 0.00 *6 K 8.31 4.19 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 *7 V 8.05 3.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.93 0.00 0.00 *8 P 0.00 4.29 0.00 1.83 1.89 0.00 3.62 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.08 0.00 *9 D 8.36 4.51 0.00 2.44 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *10 F 8.32 4.49 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *11 S 8.33 4.34 0.00 3.59 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *12 D 8.36 4.51 0.00 2.44 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *13 Y 8.14 4.42 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *14 R 8.25 4.21 0.00 1.57 1.77 0.00 3.20 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 *15 R 8.25 4.21 0.00 1.57 1.77 0.00 3.20 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 *16 P 0.00 4.29 0.00 1.83 1.89 0.00 3.62 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.08 0.00 *17 E 8.44 4.22 0.00 1.73 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.37 0.00 *18 V 8.05 3.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.93 0.00 0.00 *19 L 8.18 4.21 0.00 1.40 1.51 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 *20 D 8.36 4.51 0.00 2.44 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *21 S 8.33 4.34 0.00 3.59 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *22 T 8.17 4.22 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 *23 K 8.31 4.19 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 *24 S 8.33 4.34 0.00 3.59 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *25 S 8.33 4.34 0.00 3.59 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *26 K 8.31 4.19 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 *27 E 8.44 4.22 0.00 1.73 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.37 0.00 *28 S 8.33 4.34 0.00 3.59 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *29 S 8.33 4.34 0.00 3.59 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *30 E 8.34 4.20 0.00 1.73 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.38 0.00 *31 A 8.26 4.18 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *32 R 8.25 4.15 0.00 1.59 1.76 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 *33 K 8.26 4.22 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.51 7.81 *34 G 8.35 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *35 F 8.32 4.40 0.00 2.06 2.11 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.38 0.00 *110 A 8.16 4.16 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *111 A 8.26 4.12 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *112 V 8.05 3.93 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.93 0.00 0.00 *113 E 8.44 4.22 0.00 1.73 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.37 0.00 *114 V 8.05 3.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.93 0.00 0.00 *115 S 8.33 4.34 0.00 3.59 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *116 Q 8.34 4.21 0.00 1.81 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.62 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 *117 L 8.18 4.21 0.00 1.40 1.51 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 *118 R 8.25 4.21 0.00 1.57 1.77 0.00 3.20 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 *119 D 8.36 4.51 0.00 2.44 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *120 P 0.00 4.29 0.00 1.83 1.89 0.00 3.62 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.08 0.00 *121 Q 8.34 4.21 0.00 1.81 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.62 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 *122 H 8.44 4.60 0.00 2.67 2.91 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *123 D 8.36 4.51 0.00 2.44 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *124 L 8.18 4.21 0.00 1.40 1.51 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 *125 E 8.44 4.22 0.00 1.73 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.37 0.00 *126 R 8.25 4.21 0.00 1.57 1.77 0.00 3.20 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 *127 V 8.05 3.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.93 0.00 0.00 *128 K 8.31 4.19 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 *129 K 8.31 4.19 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 *130 P 0.00 4.29 0.00 1.83 1.89 0.00 3.62 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.08 0.00 *131 E 8.44 4.22 0.00 1.73 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.37 0.00 *132 W 8.27 4.53 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *133 V 8.05 3.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.93 0.00 0.00 *134 I 8.02 4.04 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.97 0.91 0.00 0.00 *135 L 8.18 4.21 0.00 1.40 1.51 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 *136 I 7.97 4.07 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.97 0.91 0.00 0.00 *137 G 8.35 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *138 V 8.05 3.90 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.93 0.00 0.00 *139 C 8.45 4.58 0.00 2.69 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *140 T 8.17 4.22 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 *141 H 8.44 4.60 0.00 2.67 2.91 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *142 L 8.13 4.24 0.00 1.40 1.51 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 *143 G 8.35 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *144 C 8.45 4.49 0.00 2.71 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *145 V 8.05 3.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.93 0.00 0.00 *146 P 0.00 4.29 0.00 1.83 1.89 0.00 3.62 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.08 0.00 *147 I 7.92 4.02 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.97 0.91 0.00 0.00 *148 A 8.26 4.18 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *149 N 8.32 4.53 0.00 2.50 2.64 0.00 0.00 6.84 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *150 A 8.21 4.21 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *151 G 8.35 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *152 D 8.36 4.42 0.00 2.46 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *153 F 8.27 4.52 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *154 G 8.30 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *155 G 8.35 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *156 Y 8.14 4.33 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *157 Y 8.14 4.42 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *158 C 8.45 4.58 0.00 2.69 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *159 P 0.00 4.29 0.00 1.83 1.89 0.00 3.62 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.08 0.00 *160 C 8.45 4.58 0.00 2.69 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *161 H 8.39 4.63 0.00 2.67 2.91 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *162 G 8.35 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *163 S 8.33 4.25 0.00 3.61 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *164 H 8.44 4.60 0.00 2.67 2.91 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *165 Y 8.14 4.42 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *166 D 8.26 4.49 0.00 2.44 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *167 A 8.26 4.18 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *168 S 8.28 4.31 0.00 3.61 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *169 G 8.35 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *170 R 8.25 4.12 0.00 1.59 1.76 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 *171 I 8.02 4.04 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.97 0.91 0.00 0.00 *172 R 8.25 4.21 0.00 1.57 1.77 0.00 3.20 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 *173 K 8.26 4.22 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.51 7.81 *174 G 8.35 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *175 P 0.00 4.18 0.00 1.85 1.87 0.00 3.65 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.09 0.00 *176 A 8.26 4.18 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *177 P 0.00 4.23 0.00 1.85 1.87 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.08 0.00 *178 L 8.18 4.21 0.00 1.40 1.51 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 *179 N 8.42 4.61 0.00 2.48 2.66 0.00 0.00 6.76 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *180 L 8.18 4.21 0.00 1.40 1.51 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 *181 E 8.44 4.22 0.00 1.73 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.37 0.00 *182 V 8.05 3.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.93 0.00 0.00 *183 P 0.00 4.29 0.00 1.83 1.89 0.00 3.62 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.08 0.00 *184 S 8.33 4.34 0.00 3.59 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *185 Y 8.14 4.42 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *186 E 8.44 4.22 0.00 1.73 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.37 0.00 *187 F 8.32 4.49 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *188 T 8.17 4.22 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 *189 S 8.33 4.34 0.00 3.59 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *190 D 8.36 4.51 0.00 2.44 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *191 D 8.36 4.51 0.00 2.44 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *192 M 8.30 4.35 0.00 1.78 1.91 0.00 0.00 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 *193 V 8.05 3.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.93 0.00 0.00 *194 I 8.02 4.04 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.97 0.91 0.00 0.00 *195 V 8.00 4.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.93 0.00 0.00 *196 G 8.35 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.